CID 3033468

Brn 2458469

Structural Information

Molecular Formula
C14H21ClN2S
SMILES
CCN(CC)CCCNC(=S)C1=CC=C(C=C1)Cl
InChI
InChI=1S/C14H21ClN2S/c1-3-17(4-2)11-5-10-16-14(18)12-6-8-13(15)9-7-12/h6-9H,3-5,10-11H2,1-2H3,(H,16,18)
InChIKey
OYEDSVFMEKIMJP-UHFFFAOYSA-N
Compound name
4-chloro-N-[3-(diethylamino)propyl]benzenecarbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.1114 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.11868 166.5
[M+Na]+ 307.10062 171.9
[M-H]- 283.10412 170.8
[M+NH4]+ 302.14522 183.9
[M+K]+ 323.07456 166.9
[M+H-H2O]+ 267.10866 160.0
[M+HCOO]- 329.10960 181.0
[M+CH3COO]- 343.12525 207.4
[M+Na-2H]- 305.08607 166.5
[M]+ 284.11085 171.0
[M]- 284.11195 171.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.